SCHEMBL8993094

SCHEMBL8993094

C=CCc1cc(Cc2ccc(OC#N)c(CC=C)c2)ccc1OC#N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.41
GABRB2 P47870 8/20 0.41
ALOX5 P09917 5/20 0.41
CNR2 P34972 4/20 0.41
ALDH1A1 P00352 2/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CNR1 P21554 1/20 0.34
CA2 P00918 1/20 0.34
PTGS1 P23219 2/20 0.34
CYP3A4 P08684 1/20 0.34
AR P10275 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23201971 0.85 CNR2 (0.42) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL30417022 0.82 MAPT (0.38) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL21192542 0.81 MAPT (0.37) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL9419416 0.81 KMT2A (0.40) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL21177929 0.79 GABRA1 (0.35) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL239781 0.78 GABRA1 (0.63) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL729002 0.78 CA2 (0.41) ALDH1A1CA2
SCHEMBL30423749 0.78 CA2 (0.41) ALDH1A1CA2
SCHEMBL21177757 0.77 POLB (0.55) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL3420813 0.77 ELANE (0.36) GABRA1GABRB2ALOX5CNR2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550282-A CURABLE COMPOSITION COMPRISING PARTIALLY TRIMERIZED PREPOLYMER OF AROMATIC DICYANATE ESTER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-27 US claimed
US-10829589-B2 Heat-curable resin composition SHIN-ESTU CHEMICAL CO., LTD. (JP) 2020-11-10 US disclosed
US-20190330414-A1 HEAT-CURABLE RESIN COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-31 US disclosed